1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine

C9H14N2 — CID 145006463

IUPAC1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine
SMILESCC1=NC2=C(CC1)N(C)CC2
InChIInChI=1S/C9H14N2/c1-7-3-4-9-8(10-7)5-6-11(9)2/h3-6H2,1-2H3
InChIKeyMRDCGJCVVGICCE-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.79
Rot. Bonds

About 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine

1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine (PubChem CID 145006463) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine
PubChem CID145006463
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine
SMILESCC1=NC2=C(CC1)N(C)CC2
InChIInChI=1S/C9H14N2/c1-7-3-4-9-8(10-7)5-6-11(9)2/h3-6H2,1-2H3
InChIKeyMRDCGJCVVGICCE-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]pyrazine
CID 71437659
2-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 131997936
1,5-Dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane
CID 145006462
2,5-Dimethyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 153199421

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine (CID 145006463) is 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine is CC1=NC2=C(CC1)N(C)CC2.
What is the InChIKey of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine?
The InChIKey is MRDCGJCVVGICCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-9-8(10-7)5-6-11(9)2/h3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine?
1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 145006463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).